N-({3,5-dimethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide

• ChemBase编号: 377233
• 分子式: C26H31N3O6
• 平均质量: 481.54084
• 单一同位素质量: 481.22128573
• SMILES: N(C(=O)c1occc1)(Cc1cc(c(c(c1)OC)OCCN1CCOCC1)OC)Cc1ccncc1
• Canonical SMILES: COc1cc(cc(c1OCCN1CCOCC1)OC)CN(C(=O)c1ccco1)Cc1ccncc1
• InChI: InChI=1S/C26H31N3O6/c1-31-23-16-21(17-24(32-2)25(23)35-15-11-28-9-13-33-14-10-28)19-29(18-20-5-7-27-8-6-20)26(30)22-4-3-12-34-22/h3-8,12,16-17H,9-11,13-15,18-19H2,1-2H3
• InChIKey: ZKIVHOVEYHZJKJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-({3,5-dimethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
• IUPAC传统名: N-({3,5-dimethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
• 别名: N-{3,5-dimethoxy-4-[2-(4-morpholinyl)ethoxy]benzyl}-N-(4-pyridinylmethyl)-2-furamide

理论计算性质

JChem

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 1.1773722
• LogD (pH = 7.4): 1.8721126
• Log P: 1.889889
• 摩尔折射率: 130.8722 cm^3
• 极化性: 50.284405 Å^3
• 极化表面积: 86.5 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 8
• 质子供体: 0
• Log P: 1.04
• LOG S: -1.45
• 极化表面积: 86.5 Å^2
• 可自由旋转的化学键: 9